Geometry & MOs

Info

ID:	209898
PubChem CID:	80738093
Reduced:	ClOS2N3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	266.054755
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	3.49
IP(EA), eV:	-8.88(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yloxy-5-(1,3-thiazol-2-ylsulfanyl)aniline

Drug info:

PubChemData

Smile

CC1(CCCS1)CNC(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations